N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

C10H13F3N2O2 — CID 78957906

IUPACN-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(Cc1ccoc1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-15(5-8-2-3-17-6-8)9(16)4-14-7-10(11,12)13/h2-3,6,14H,4-5,7H2,1H3
InChIKeyMGBDVILCMQSMHQ-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.39
Rot. Bonds5

About N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78957906) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78957906
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(Cc1ccoc1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-15(5-8-2-3-17-6-8)9(16)4-14-7-10(11,12)13/h2-3,6,14H,4-5,7H2,1H3
InChIKeyMGBDVILCMQSMHQ-UHFFFAOYSA-N
XLogP1.39
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914952
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78960749
N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958541
N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
CID 110868951
3-(ethylamino)-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 62834996
ethyl 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]acetate
CID 47337990
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 103733157
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
2-ethoxy-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61216289
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide
CID 61422456

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 78957906) is N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is CN(Cc1ccoc1)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is MGBDVILCMQSMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-15(5-8-2-3-17-6-8)9(16)4-14-7-10(11,12)13/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 250.22 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78957906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).